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	hartrees
Energy at 0K	-303.083757
Energy at 298.15K	-303.093953
HF Energy	-302.065196
Nuclear repulsion energy	246.763072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3587	3469
2	A	3181	3076
3	A	3131	3027
4	A	3039	2938
5	A	1791	1731
6	A	1516	1466
7	A	1487	1437
8	A	1466	1417
9	A	1439	1391
10	A	1204	1164
11	A	1172	1133
12	A	1131	1094
13	A	918	888
14	A	604	584
15	A	460	445
16	A	224	217
17	A	202	196
18	A	107	103
19	B	3586	3468
20	B	3181	3076
21	B	3131	3027
22	B	3038	2937
23	B	1557	1505
24	B	1499	1449
25	B	1480	1431
26	B	1442	1395
27	B	1266	1224
28	B	1148	1110
29	B	1138	1100
30	B	1058	1023
31	B	767	742
32	B	737	713
33	B	515	498
34	B	320	309
35	B	125	121
36	B	115	111

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.098
O2	0.000	0.000	1.327
N3	0.000	1.165	-0.681
N4	0.000	-1.165	-0.681
C5	-0.313	2.412	0.019
C6	0.313	-2.412	0.019
H7	-0.502	1.047	-1.561
H8	0.502	-1.047	-1.561
H9	-0.129	3.259	-0.664
H10	0.129	-3.259	-0.664
H11	0.355	2.502	0.890
H12	-0.355	-2.502	0.890
H13	-1.359	2.458	0.386
H14	1.359	-2.458	0.386

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2288	1.4019	1.4019	2.4334	2.4334	2.0256	2.0256	3.3497	3.3497	2.6483	2.6483	2.8227	2.8227
O2	1.2288		2.3219	2.3219	2.7617	2.7617	3.1131	3.1131	3.8215	3.8215	2.5646	2.5646	2.9617	2.9617
N3	1.4019	2.3219		2.3303	1.4636	3.6583	1.0199	2.4334	2.0982	4.4263	2.0935	4.0055	2.1573	4.0134
N4	1.4019	2.3219	2.3303		3.6583	1.4636	2.4334	1.0199	4.4263	2.0982	4.0055	2.0935	4.0134	2.1573
C5	2.4334	2.7617	1.4636	3.6583		4.8641	2.0961	3.8893	1.1037	5.7291	1.1016	4.9908	1.1091	5.1613
C6	2.4334	2.7617	3.6583	1.4636	4.8641		3.8893	2.0961	5.7291	1.1037	4.9908	1.1016	5.1613	1.1091
H7	2.0256	3.1131	1.0199	2.4334	2.0961	3.8893		2.3229	2.4160	4.4441	2.9766	4.3163	2.5519	4.4199
H8	2.0256	3.1131	2.4334	1.0199	3.8893	2.0961	2.3229		4.4441	2.4160	4.3163	2.9766	4.4199	2.5519
H9	3.3497	3.8215	2.0982	4.4263	1.1037	5.7291	2.4160	4.4441		6.5236	1.7952	5.9716	1.8046	5.9996
H10	3.3497	3.8215	4.4263	2.0982	5.7291	1.1037	4.4441	2.4160	6.5236		5.9716	1.7952	5.9996	1.8046
H11	2.6483	2.5646	2.0935	4.0055	1.1016	4.9908	2.9766	4.3163	1.7952	5.9716		5.0543	1.7868	5.0853
H12	2.6483	2.5646	4.0055	2.0935	4.9908	1.1016	4.3163	2.9766	5.9716	1.7952	5.0543		5.0853	1.7868
H13	2.8227	2.9617	2.1573	4.0134	1.1091	5.1613	2.5519	4.4199	1.8046	5.9996	1.7868	5.0853		5.6161
H14	2.8227	2.9617	4.0134	2.1573	5.1613	1.1091	4.4199	2.5519	5.9996	1.8046	5.0853	1.7868	5.6161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.231	C1	N3	H7	112.569
C1	N4	C6	116.231	C1	N4	H8	112.569
O2	C1	N3	123.785	O2	C1	N4	123.785
N3	C1	N4	112.429	N3	C5	H9	108.816
N3	C5	H11	108.575	N3	C5	H13	113.256
N4	C6	H10	108.816	N4	C6	H12	108.575
N4	C6	H14	113.256	C5	N3	H7	113.940
C6	N4	H8	113.940	H9	C5	H11	108.984
H9	C5	H13	109.284	H10	C6	H12	108.984
H10	C6	H14	109.284	H11	C5	H13	107.848
H12	C6	H14	107.848

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: MP4/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: MP4/cc-pVDZ

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)